UCSF

ZINC27645168

Substance Information

In ZINC since Heavy atoms Benign functionality
February 18th, 2009 29 Yes

Download: MOL2 SDF SMILES Flexibase

Physical Representations

Type pH range xlogP Des A‑Pol Apolar desolvation (kcal/mol) Des Pol Polar desolvation (kcal/mol) H Don H-bond donors H Acc H-bond acceptors Chg Net charge tPSA (Ų) MWT Molecular weight (g/mol) RB Rotatable bonds DL
Ref Reference (pH 7) 2.94 4.88 -55.41 3 6 -1 110 423.913 11
Lo Low (pH 4.5-6) 2.94 3.76 -15.27 4 6 0 107 424.921 11

Activity (Go SEA)

Analogs ( Draw Identity 99% 90% 80% 70% )